Mol:LBST04010413
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | 5.4641 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 4.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 4.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 3.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 3.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.0548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.0548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.4452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.4452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9889 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9889 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3956 -1.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3956 -1.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3902 -1.4233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.3902 -1.4233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.1104 -4.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1104 -4.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4194 -3.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4194 -3.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7503 -3.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7503 -3.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0593 -2.1664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.0593 -2.1664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.0374 -1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0374 -1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 5.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 5.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -0.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -0.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1322 -5.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1322 -5.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7795 -5.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7795 -5.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 1 6 0 0 0 | + | 6 1 1 6 0 0 0 |
| − | 5 7 1 6 0 0 0 | + | 5 7 1 6 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 9 8 1 6 0 0 0 | + | 9 8 1 6 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 6 10 1 0 0 0 0 | + | 6 10 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 10 14 2 0 0 0 0 | + | 10 14 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 17 16 1 1 0 0 0 | + | 17 16 1 1 0 0 0 |
| − | 12 17 1 6 0 0 0 | + | 12 17 1 6 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
| − | 11 15 1 1 0 0 0 | + | 11 15 1 1 0 0 0 |
| − | 21 22 1 6 0 0 0 | + | 21 22 1 6 0 0 0 |
| − | 12 23 1 1 0 0 0 | + | 12 23 1 1 0 0 0 |
| − | 6 24 1 1 0 0 0 | + | 6 24 1 1 0 0 0 |
| − | 3 25 1 6 0 0 0 | + | 3 25 1 6 0 0 0 |
| − | 8 26 1 6 0 0 0 | + | 8 26 1 6 0 0 0 |
| − | 13 27 2 0 0 0 0 | + | 13 27 2 0 0 0 0 |
| − | 18 28 1 0 0 0 0 | + | 18 28 1 0 0 0 0 |
| − | 18 29 2 0 0 0 0 | + | 18 29 2 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBST04010413 | + | ID LBST04010413 |
| − | FORMULA C24H36O5 | + | FORMULA C24H36O5 |
| − | EXACTMASS 404.256274262 | + | EXACTMASS 404.256274262 |
| − | AVERAGEMASS 404.53964 | + | AVERAGEMASS 404.53964 |
| − | SMILES C([C@@]4(C)1)C[C@@H](O)C[C@H]1C[C@@H](O)[C@H](C4=3)[C@@H]([C@@]2(C(=O)C3)C)CC[C@H]([C@H](C)CCC(O)=O)2 | + | SMILES C([C@@]4(C)1)C[C@@H](O)C[C@H]1C[C@@H](O)[C@H](C4=3)[C@@H]([C@@]2(C(=O)C3)C)CC[C@H]([C@H](C)CCC(O)=O)2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
5.4641 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 3.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 2.5548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 1.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 1.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.0548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -0.4452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 0.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9889 -0.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3956 -1.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3902 -1.4233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.1104 -4.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4194 -3.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7503 -3.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0593 -2.1664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0374 -1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 5.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.4452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1322 -5.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7795 -5.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 1 6 0 0 0
5 7 1 6 0 0 0
7 8 1 0 0 0 0
9 8 1 6 0 0 0
9 10 1 0 0 0 0
6 10 1 0 0 0 0
9 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
10 14 2 0 0 0 0
15 16 1 0 0 0 0
17 16 1 1 0 0 0
12 17 1 6 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
17 21 1 0 0 0 0
11 15 1 1 0 0 0
21 22 1 6 0 0 0
12 23 1 1 0 0 0
6 24 1 1 0 0 0
3 25 1 6 0 0 0
8 26 1 6 0 0 0
13 27 2 0 0 0 0
18 28 1 0 0 0 0
18 29 2 0 0 0 0
S SKP 5
ID LBST04010413
FORMULA C24H36O5
EXACTMASS 404.256274262
AVERAGEMASS 404.53964
SMILES C([C@@]4(C)1)C[C@@H](O)C[C@H]1C[C@@H](O)[C@H](C4=3)[C@@H]([C@@]2(C(=O)C3)C)CC[C@H]([C@H](C)CCC(O)=O)2
M END
